SCHEMBL14133180

SCHEMBL14133180

O=[N+]([O-])CCc1ccc2c(c1)[nH]c1ccncc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.47
▸ ACHE P22303 4/20 0.45
▸ MAPT P10636 6/20 0.43
▸ PARP1 P09874 1/20 0.38
▸ BRAF P15056 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ CHUK O15111 1/20 0.36
▸ ROCK2 O75116 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14133956 0.92 KIF11 (0.45) KIF11ACHEMAPTPARP1BRAF
SCHEMBL14133169 0.79 KIF11 (0.56) KIF11ACHEMAPTPARP1CHUK
SCHEMBL14053792 0.79 KIF11 (0.56) KIF11ACHEMAPTPARP1CHUK
SCHEMBL23391734 0.77 TBXAS1 (0.52) KIF11ACHEMAPTPARP1ROCK2
SCHEMBL31104422 0.77 TBXAS1 (0.52) KIF11ACHEMAPTPARP1ROCK2
SCHEMBL14133908 0.77 KIF11 (0.54) KIF11ACHEMAPTPARP1CHUK
SCHEMBL14053477 0.77 KIF11 (0.54) KIF11ACHEMAPTPARP1CHUK
SCHEMBL20652942 0.76 KDM4E (0.50) KIF11ACHEMAPTPARP1ROCK2
SCHEMBL20652671 0.76 ACHE (0.51) KIF11ACHEMAPTPARP1CHUK
SCHEMBL20652663 0.73 ROCK2 (0.50) KIF11ACHEMAPTPARP1EGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150030540-A1 Imaging agents for detecting neurological dysfunction LILLY CO ELI (US) 2015-01-29 — — US claimed
US-20150030540-A1 Imaging agents for detecting neurological dysfunction LILLY CO ELI (US) 2015-01-29 — — US disclosed
US-20150030540-A1 Imaging agents for detecting neurological dysfunction LILLY CO ELI (US) 2015-01-29 — — US disclosed
US-8932557-B2 Imaging agents for detecting neurological dysfunction ELI LILLY AND COMPANY (US) 2015-01-13 — — US disclosed
US-8932557-B2 Imaging agents for detecting neurological dysfunction ELI LILLY AND COMPANY (US) 2015-01-13 — — US disclosed
US-20120302755-A1 Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-29 — — US disclosed
US-20120302755-A1 Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150030540-A1 Imaging agents for detecting neurological dysfunction SLC18A3, TSPO, CHAT KIF11 3323/4885ACHE 5/4885MAPT 36/4885
US-20120302755-A1 Imaging Agents for Detecting Neurological Dysfunction SLC18A3, TSPO, CHAT KIF11 3323/4885ACHE 5/4885MAPT 36/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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